Compound Identification
SMILES
OC(=O)C(CN(CCN1CCOCC1)S(=O)(=O)C1=CC=CC=C1)C(NCCN1CCOCC1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ORDZQCLKBQYDQZ-UHFFFAOYSA-N
Formula
C28H39BrN4O6S
Mass
639.61
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenylpropanoic acids Benzenesulfonamides Benzenesulfonyl compounds Aralkylamines Bromobenzenes Organosulfonamides Morpholines Aryl bromides Aminosulfonyl compounds Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Dialkyl ethers Organobromides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Organosulfonic acid amide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available